Geometry & MOs

Info

ID:	268191
PubChem CID:	103598309
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	358.06959
ΔH_f, kcal/mol:	-120.19
Dipole, Da:	3.94
IP(EA), eV:	-8.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=CC(=O)NCC3=NC(=C(O3)C)C

DOS

IR

Vibrations